SCHEMBL31506

SCHEMBL31506

CC(=O)Nc1cccc(-c2c(C)nc3ccc(C(=O)N4CCCCC4)cn23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MOK Q9UQ07 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15071139 0.87 F2RL1 (0.55) F2RL1ALDH1A1TP53HPGDHTT
SCHEMBL31560 0.86 F2RL1 (0.63) F2RL1ALDH1A1TP53HPGDHSD17B10
SCHEMBL15071136 0.85 F2RL1 (0.62) F2RL1ALDH1A1TP53HPGDKMT2A
SCHEMBL15071141 0.85 F2RL1 (0.61) F2RL1ALDH1A1TP53HPGDHSD17B10
SCHEMBL15071131 0.84 F2RL1 (0.61) F2RL1ALDH1A1TP53HPGDHSD17B10
SCHEMBL15071100 0.83 F2RL1 (0.77) F2RL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL15071144 0.83 F2RL1 (0.60) F2RL1ALDH1A1HPGDHTTHSD17B10
SCHEMBL15071137 0.82 F2RL1 (0.59) F2RL1ALDH1A1HPGDHTTKMT2A
SCHEMBL31568 0.82 F2RL1 (0.56) F2RL1ALDH1A1TP53HPGDHTT
SCHEMBL15071143 0.81 F2RL1 (0.74) F2RL1HPGDKMT2AMEN1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 F2RL1 1/4885ALDH1A1 3710/4885TP53 3008/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback